| CAS Number | 1178343-42-4 |
| Catalog Number | AG01A0HA(AGN-PC-0WO3WT) |
| Chemical Name | 1-cyclopropyl-2-(2-nitrophenyl)ethan-1-one |
| IUPAC Name | 1-cyclopropyl-2-(2-nitrophenyl)ethanone |
| InChI | InChI=1S/C11H11NO3/c13-11(8-5-6-8)7-9-3-1-2-4-10(9)12(14)15/h1-4,8H,5-7H2 |
| InChI Key | JNRZUKPLNJZWNF-UHFFFAOYSA-N |
| MDL Number | MFCD12827404 |
| Molecular Formula | C11H11NO3 |
| Molecular Weight | 205.2099 |
| SMILES | [O-][N+](C1=C(CC(C2CC2)=O)C=CC=C1)=O |
| Synonyms | 1-cyclopropyl-2-(2-nitrophenyl)ethan-1-one,
1178343-42-4,
ZINC38125892,
AKOS010285783,
MCULE-1023805021,
NE27600,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.213g/mol |
| Monoisotopic Mass | 205.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number